N-(5-amino-5-hydroxyiminopentyl)-4-methylpentanamide

C11H23N3O2 — CID 77036898

IUPACN-(5-amino-5-hydroxyiminopentyl)-4-methylpentanamide
SMILESCC(C)CCC(=O)NCCCCC(N)=NO
InChIInChI=1S/C11H23N3O2/c1-9(2)6-7-11(15)13-8-4-3-5-10(12)14-16/h9,16H,3-8H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeyDIQAAGFZAZONQC-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.46
Rot. Bonds8

About N-(5-amino-5-hydroxyiminopentyl)-4-methylpentanamide

N-(5-amino-5-hydroxyiminopentyl)-4-methylpentanamide (PubChem CID 77036898) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-(5-amino-5-hydroxyiminopentyl)-4-methylpentanamide.

Molecular Properties

Compound NameN-(5-amino-5-hydroxyiminopentyl)-4-methylpentanamide
PubChem CID77036898
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN-(5-amino-5-hydroxyiminopentyl)-4-methylpentanamide
SMILESCC(C)CCC(=O)NCCCCC(N)=NO
InChIInChI=1S/C11H23N3O2/c1-9(2)6-7-11(15)13-8-4-3-5-10(12)14-16/h9,16H,3-8H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeyDIQAAGFZAZONQC-UHFFFAOYSA-N
XLogP1.46
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-5-hydroxyiminopentyl)octanamide
CID 77036923
N-(5-amino-5-hydroxyiminopentyl)-3-methoxypropanamide
CID 77036734
4-methyl-N-(6-methylheptyl)pentanamide
CID 129055781
4-methyl-N-[3-[[3-[[3-[5-[3-[3-[3-(4-methylpentanoylamino)propanoylamino]propanoylamino]propanoylamino]pentylamino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanamide
CID 59046039
N'-hydroxy-5-(5-methylhexan-2-ylamino)pentanimidamide
CID 77030148
N-(5-amino-5-hydroxyiminopentyl)-2-methylsulfonylpropanamide
CID 104521813
N-decyl-4-methylpentanamide;N-dodecyl-4-methylpentanamide;N-icosyl-4-methylpentanamide;4-methyl-N-nonylpentanamide;4-methyl-N-octadecylpentanamide;4-methyl-N-pentadecylpentanamide;4-methyl-N-tetradecylpentanamide;4-methyl-N-tridecylpentanamide;4-methyl-N-undecylpentanamide
CID 159335850
N,N'-bis(3-methylbutyl)hexanediamide
CID 5045138
N-(5-amino-5-hydroxyiminopentyl)-2-cyclopentylacetamide
CID 77036704
N-(4-bromopentyl)-4-methylpentanamide
CID 106131429
5-chloro-N-(5-methylhexyl)pentanamide
CID 115325090
N-hexyl-6-methylheptanamide
CID 141197249

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-5-hydroxyiminopentyl)-4-methylpentanamide?
The IUPAC name of N-(5-amino-5-hydroxyiminopentyl)-4-methylpentanamide (CID 77036898) is N-(5-amino-5-hydroxyiminopentyl)-4-methylpentanamide.
What is the SMILES notation for N-(5-amino-5-hydroxyiminopentyl)-4-methylpentanamide?
The canonical SMILES for N-(5-amino-5-hydroxyiminopentyl)-4-methylpentanamide is CC(C)CCC(=O)NCCCCC(N)=NO.
What is the InChIKey of N-(5-amino-5-hydroxyiminopentyl)-4-methylpentanamide?
The InChIKey is DIQAAGFZAZONQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-9(2)6-7-11(15)13-8-4-3-5-10(12)14-16/h9,16H,3-8H2,1-2H3,(H2,12,14)(H,13,15).
What are the key properties of N-(5-amino-5-hydroxyiminopentyl)-4-methylpentanamide?
N-(5-amino-5-hydroxyiminopentyl)-4-methylpentanamide has a molecular weight of 229.32 g/mol, XLogP of 1.46, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-5-hydroxyiminopentyl)-4-methylpentanamide is sourced from PubChem (CID 77036898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).